UCSF

ZINC49474462

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.39 7.3 -84.73 3 4 1 61 229.344 6
Mid Mid (pH 6-8) 1.39 5.21 -34.28 2 4 0 60 228.336 6
Mid Mid (pH 6-8) 1.39 6.12 -46.82 2 4 0 57 228.336 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )